(phenylmethyl) 2-chloranyl-5-(phenylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-6-carboxylate

Systemtic Name: (phenylmethyl) 2-chloranyl-5-(phenylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-6-carboxylate Openeye Name: benzyl 5-benzyl-2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridine-6-carboxylate CAS Name: 2-chloro-5-(phenylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-6-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-benzyl-2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridine-6-carboxylate Traditional Name: 5-benzyl-2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridine-6-carboxylic acid benzyl ester Formula: C22H20ClNO2S MolecularWeight: 397.9177

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=C1SC(=C2)Cl)CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1C(N(CC2=C1SC(=C2)Cl)CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C22H20ClNO2S/c23-21-11-18-14-24(13-16-7-3-1-4-8-16)19(12-20(18)27-21)22(25)26-15-17-9-5-2-6-10-17/h1-11,19H,12-15H2